smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[N-]=[N+]=C1C(=O)NC(=O)N=C1O	4071678	HBZLKQCYQCZGAN-UHFFFAOYSA-N	154.085	-1.137	10	40	AACB	
O=C1NC(=O)C(=CNCCO)C(=O)N1	6854839	BPKIUIUGKYPZRQ-UHFFFAOYSA-N	199.166	-2.182	10	40	AACB	
CN1C(=O)NC(=O)/C(=C/N)C1=O	104134355	BDFURBAMTKDIJB-IHWYPQMZSA-N	169.140	-1.463	10	40	AACB	
O=c1c2n(c(=O)c3n1CCC=3)CCC=2	1563003	QOGRPSKKXJMOHA-UHFFFAOYSA-N	190.202	-1.622	10	40	AACB	
CO[C@H]1NC(=O)NC(=O)C1=[N+]=[N-]	5105338	NGOJXMOCGCHIQF-SCSAIBSYSA-N	170.128	-1.531	10	40	AACB	
COC(=O)CN/C=C1\C=NNC1=O	18059245	CHLVPUYTOLSIQY-GORDUTHDSA-N	183.167	-1.252	10	40	AACB	
CN1C(=O)C(=[N+]=[N-])C(=O)N(C)C1=O	4916429	XMYWRBXSIQINSE-UHFFFAOYSA-N	182.139	-1.292	10	40	AACB	
[N-]=[N+]=N[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O	256009939	WVWBURHISBVZHI-LECHCGJUSA-N	175.144	-1.264	10	40	AACB	
CCN1C(=O)NC(=O)/C(=C/N)C1=O	104134364	DXGPJACBJMOQKD-ARJAWSKDSA-N	183.167	-1.073	10	40	AACB	
O=C1O[C@@H]([C@@H](O)CO)C(=O)C1=O	1532646	SBJKKFFYIZUCET-VHUNDSFISA-N	174.108	-2.597	10	40	AACB	biogenic,in-vitro
CO[C@@H]1NC(=O)NC(=O)C1=[N+]=[N-]	16973942	NGOJXMOCGCHIQF-BYPYZUCNSA-N	170.128	-1.531	10	40	AACB	
O=C1O[C@@H]([C@H](O)CO)C(=O)C1=O	1532647	SBJKKFFYIZUCET-MVHIGOERSA-N	174.108	-2.597	10	40	AACB	biogenic,in-vitro
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=S	5132033	ABXYOVCSAGTJAC-JGWLITMVSA-N	196.224	-2.578	10	40	AACB	
[N-]=[N+]=C1C=NC(=O)NC1=O	4215596	VEOLNAAQJHGJPM-UHFFFAOYSA-N	138.086	-1.022	10	40	AACB	in-vitro
N=C(N)NN/N=N/C(=N)NNN=O	103569186	JQSQHAYDQDDZFG-UHFFFAOYSA-N	188.155	-1.948	10	40	AACB	
CN1N=C/C(=C\NC(N)=O)C1=O	104085306	RSLVNMNVGKPOCU-DUXPYHPUSA-N	168.156	-1.004	10	40	AACB	
CCN1C(=O)NC(=O)/C(=C\N)C1=O	104134368	DXGPJACBJMOQKD-ONEGZZNKSA-N	183.167	-1.073	10	40	AACB	
CO[C@H]1C(=[N+]=[N-])C(=O)NC(=O)N1C	17024413	RBQXXZXTDYJFLT-YFKPBYRVSA-N	184.155	-1.189	10	40	AACB	
O=C1CC(=O)NN1	5382437	DNTVKOMHCDKATN-UHFFFAOYSA-N	100.077	-1.463	10	40	AACB	
O=C(CN1CC1)C(=O)CN1CC1	39082592	MBDPCQCAKDHMRJ-UHFFFAOYSA-N	168.196	-1.244	10	40	AACB	in-vitro
S=C1NNC(=S)NN1	5566462	HHSAQSIIYVKIOL-UHFFFAOYSA-N	148.216	-1.242	10	40	AACB	
CN(C)C=C1C(=O)NC(=O)NC1=O	1673695	IFJJJQASQZGSAC-UHFFFAOYSA-N	183.167	-1.202	10	40	AACB	
COC(=O)CN/C=C1/C=NNC1=O	100925856	CHLVPUYTOLSIQY-DJWKRKHSSA-N	183.167	-1.252	10	40	AACB	
CC1NNC(=S)NN1	18204142	BYIXAEICDPEBOP-UHFFFAOYSA-N	132.192	-1.181	10	40	AACB	
O=C1O[C@H](CC(O)O)C(=O)C1=O	79669775	JKDDAIAUFFZXKA-UWTATZPHSA-N	174.108	-2.249	10	40	AACB	
CNC=C1C(=O)NC(=S)NC1=O	6562324	XREIDSSCOZELPW-UHFFFAOYSA-N	185.208	-1.379	10	40	AACB	
Cn1cc[n+](S(=O)(=O)O)c1	16922362	BWTRZAFCILHCIO-UHFFFAOYSA-O	163.178	-1.037	10	40	AACB	
CN1N=C/C(=C/NC(N)=O)C1=O	17020428	RSLVNMNVGKPOCU-RQOWECAXSA-N	168.156	-1.004	10	40	AACB	
O=C1c2n[nH]nc2C(=O)c2n[nH]nc21	4342740	RFJQFDNFQDAVHT-UHFFFAOYSA-N	190.122	-1.302	10	40	AACB	
CO[C@@H]1C(=[N+]=[N-])C(=O)NC(=O)N1C	5329903	RBQXXZXTDYJFLT-RXMQYKEDSA-N	184.155	-1.189	10	40	AACB	
CN1C(=O)C(=CN)C(=O)N(C)C1=O	17971564	SPQQDRNKBIRYSE-UHFFFAOYSA-N	183.167	-1.121	10	40	AACB	
[N-]=[N+]=N[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	199975260	WVWBURHISBVZHI-KKQCNMDGSA-N	175.144	-1.264	10	40	AACB	
O=C1CC(=O)N2C(=O)CC(=O)N12	1613401	GZNCIJMYYSBWIX-UHFFFAOYSA-N	168.108	-1.581	10	40	AACB	
CC(=O)NCC(=O)C=[N+]=[N-]	5278618	AWQOQGIWENXZKW-UHFFFAOYSA-N	141.130	-1.008	10	40	AACB	
[N-]=[N+]=c1ccc(=[N+]=[N-])c(=[N+]=[N-])c1=[N+]=[N-]	95101110	MXLHBDYLEHCBGT-UHFFFAOYSA-N	186.138	-2.916	10	40	AACB	
CN1C(=O)NC(=O)/C(=C\N)C1=O	104134360	BDFURBAMTKDIJB-NSCUHMNNSA-N	169.140	-1.463	10	40	AACB	
[N-]=[N+]=C(C(N)=O)C(N)=O	4898183	HKOZZVNSODQUHY-UHFFFAOYSA-N	128.091	-2.372	10	40	AACB